Molecular Structure Correlator - Unhandled Exception Error


I'm trying to use the Agilent MassHunter Molecular Structure Correlator (v 8.1, build but am getting unhandled exception errors in the software.

For the data file, I used a result that was found by AutoMSMS in Compound Discovery (Qualitative Analysis 10.0), then assigned potential compound names from a custom PCDL library with suspect compounds.
I generated a .cef file for one of the compounds using Qualitative Analysis 10.0 --> Export --> as CEF --> Only highlighted results from one of the data files
I created a new project and selected the .cef file. The compound appears to be loaded correctly in the left pane, and MFG results appear good when right-clicking the compound and selecting "View MFG result."
If I try to impose a formula, the unhandled exception error occurs.

For the structure source, I've tried selecting Molfile files, and also alternatively a PCDL that had a compound list with all the mol files added for the compound structures.
When I try to click Run for either structure source, I also get the unhandled exception error.

Here's some information from the error box:

"Unhandled exception has occurred in your application.
Invalid Argument=Value of '0' is not valid for 'SelectedIndex'.
Parameter name: SelectedIndex."

I can copy more details from the error message if needed.


[EDIT] I've tried on a different suspect compound from the same sample, exported from Qual 10.0 in the same way to get a .cef file, and this new .cef file is working and able to match the fragments. So it seems it's not a general software error but some issue with the compound? I tried remaking the .cef file on the first compound, but it's still not working. Any advice on what might be wrong with the compound / how to get it to run would be appreciated.

  • Hello  ,

    I apologize for the delayed response.

    The error you are seeing was a known issue in that revision due to no structure match being found for the selected compound. The workaround for that version was to click the Continue button instead of Quit to move on to the next compound.

    This issue was addressed in Version 8.3 which was released in Jan 2024. It is available on G3336-10024 MassHunter LCMS Supplemental software 10.2 through SubscribeNet. If you do not have access to this through your SubscribeNet account, please reach out to your local service team to obtain a copy.

Was this helpful?